Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1QSG

CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
A	0005515	molecular_function	protein binding
A	0005829	cellular_component	cytosol
A	0006633	biological_process	fatty acid biosynthetic process
A	0008610	biological_process	lipid biosynthetic process
A	0009102	biological_process	biotin biosynthetic process
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0030497	biological_process	fatty acid elongation
A	0032991	cellular_component	protein-containing complex
A	0042802	molecular_function	identical protein binding
A	0046677	biological_process	response to antibiotic
A	0051289	biological_process	protein homotetramerization
A	0070404	molecular_function	NADH binding
A	1902494	cellular_component	catalytic complex
B	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
B	0005515	molecular_function	protein binding
B	0005829	cellular_component	cytosol
B	0006633	biological_process	fatty acid biosynthetic process
B	0008610	biological_process	lipid biosynthetic process
B	0009102	biological_process	biotin biosynthetic process
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0030497	biological_process	fatty acid elongation
B	0032991	cellular_component	protein-containing complex
B	0042802	molecular_function	identical protein binding
B	0046677	biological_process	response to antibiotic
B	0051289	biological_process	protein homotetramerization
B	0070404	molecular_function	NADH binding
B	1902494	cellular_component	catalytic complex
C	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
C	0005515	molecular_function	protein binding
C	0005829	cellular_component	cytosol
C	0006633	biological_process	fatty acid biosynthetic process
C	0008610	biological_process	lipid biosynthetic process
C	0009102	biological_process	biotin biosynthetic process
C	0016020	cellular_component	membrane
C	0016491	molecular_function	oxidoreductase activity
C	0030497	biological_process	fatty acid elongation
C	0032991	cellular_component	protein-containing complex
C	0042802	molecular_function	identical protein binding
C	0046677	biological_process	response to antibiotic
C	0051289	biological_process	protein homotetramerization
C	0070404	molecular_function	NADH binding
C	1902494	cellular_component	catalytic complex
D	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
D	0005515	molecular_function	protein binding
D	0005829	cellular_component	cytosol
D	0006633	biological_process	fatty acid biosynthetic process
D	0008610	biological_process	lipid biosynthetic process
D	0009102	biological_process	biotin biosynthetic process
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
D	0030497	biological_process	fatty acid elongation
D	0032991	cellular_component	protein-containing complex
D	0042802	molecular_function	identical protein binding
D	0046677	biological_process	response to antibiotic
D	0051289	biological_process	protein homotetramerization
D	0070404	molecular_function	NADH binding
D	1902494	cellular_component	catalytic complex
E	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
E	0005515	molecular_function	protein binding
E	0005829	cellular_component	cytosol
E	0006633	biological_process	fatty acid biosynthetic process
E	0008610	biological_process	lipid biosynthetic process
E	0009102	biological_process	biotin biosynthetic process
E	0016020	cellular_component	membrane
E	0016491	molecular_function	oxidoreductase activity
E	0030497	biological_process	fatty acid elongation
E	0032991	cellular_component	protein-containing complex
E	0042802	molecular_function	identical protein binding
E	0046677	biological_process	response to antibiotic
E	0051289	biological_process	protein homotetramerization
E	0070404	molecular_function	NADH binding
E	1902494	cellular_component	catalytic complex
F	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
F	0005515	molecular_function	protein binding
F	0005829	cellular_component	cytosol
F	0006633	biological_process	fatty acid biosynthetic process
F	0008610	biological_process	lipid biosynthetic process
F	0009102	biological_process	biotin biosynthetic process
F	0016020	cellular_component	membrane
F	0016491	molecular_function	oxidoreductase activity
F	0030497	biological_process	fatty acid elongation
F	0032991	cellular_component	protein-containing complex
F	0042802	molecular_function	identical protein binding
F	0046677	biological_process	response to antibiotic
F	0051289	biological_process	protein homotetramerization
F	0070404	molecular_function	NADH binding
F	1902494	cellular_component	catalytic complex
G	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
G	0005515	molecular_function	protein binding
G	0005829	cellular_component	cytosol
G	0006633	biological_process	fatty acid biosynthetic process
G	0008610	biological_process	lipid biosynthetic process
G	0009102	biological_process	biotin biosynthetic process
G	0016020	cellular_component	membrane
G	0016491	molecular_function	oxidoreductase activity
G	0030497	biological_process	fatty acid elongation
G	0032991	cellular_component	protein-containing complex
G	0042802	molecular_function	identical protein binding
G	0046677	biological_process	response to antibiotic
G	0051289	biological_process	protein homotetramerization
G	0070404	molecular_function	NADH binding
G	1902494	cellular_component	catalytic complex
H	0004318	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADH) activity
H	0005515	molecular_function	protein binding
H	0005829	cellular_component	cytosol
H	0006633	biological_process	fatty acid biosynthetic process
H	0008610	biological_process	lipid biosynthetic process
H	0009102	biological_process	biotin biosynthetic process
H	0016020	cellular_component	membrane
H	0016491	molecular_function	oxidoreductase activity
H	0030497	biological_process	fatty acid elongation
H	0032991	cellular_component	protein-containing complex
H	0042802	molecular_function	identical protein binding
H	0046677	biological_process	response to antibiotic
H	0051289	biological_process	protein homotetramerization
H	0070404	molecular_function	NADH binding
H	1902494	cellular_component	catalytic complex

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	TYR146
A	TYR156
B	TYR146
B	TYR156
C	TYR146
C	TYR156
D	TYR146
D	TYR156
E	TYR146
E	TYR156
F	TYR146
F	TYR156
G	TYR146
G	TYR156
H	TYR146
H	TYR156

site_id	SWS_FT_FI2
Number of Residues	56
Details	BINDING: BINDING => ECO:0000269\|PubMed:10201369, ECO:0000269\|PubMed:10398587, ECO:0000269\|PubMed:10493822, ECO:0000269\|PubMed:10595560, ECO:0000269\|PubMed:11514139, ECO:0000269\|PubMed:12109908, ECO:0000269\|PubMed:12699381, ECO:0000269\|PubMed:8953047

Chain	Residue	Details
C	GLN40
C	ASP64
C	ILE92
C	LYS163
C	ILE192
D	GLY13
D	SER19
D	GLN40
D	ASP64
D	ILE92
D	LYS163
D	ILE192
E	GLY13
E	SER19
E	GLN40
E	ASP64
E	ILE92
E	LYS163
E	ILE192
F	GLY13
F	SER19
F	GLN40
F	ASP64
F	ILE92
F	LYS163
F	ILE192
G	GLY13
G	SER19
G	GLN40
G	ASP64
G	ILE92
G	LYS163
G	ILE192
H	GLY13
H	SER19
H	GLN40
H	ASP64
H	ILE92
H	LYS163
H	ILE192
A	GLY13
A	SER19
A	GLN40
A	ASP64
A	ILE92
A	LYS163
A	ILE192
B	GLY13
B	SER19
B	GLN40
B	ASP64
B	ILE92
B	LYS163
B	ILE192
C	GLY13
C	SER19

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
A	ALA95
B	ALA95
C	ALA95
D	ALA95
E	ALA95
F	ALA95
G	ALA95
H	ALA95

site_id	SWS_FT_FI4
Number of Residues	24
Details	SITE: Involved in acyl-ACP binding

Chain	Residue	Details
F	ARG204
F	LYS205
G	LYS201
G	ARG204
G	LYS205
H	LYS201
H	ARG204
H	LYS205
A	LYS201
A	ARG204
A	LYS205
B	LYS201
B	ARG204
B	LYS205
C	LYS201
C	ARG204
C	LYS205
D	LYS201
D	ARG204
D	LYS205
E	LYS201
E	ARG204
E	LYS205
F	LYS201

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
A	TYR156	proton acceptor, proton donor
A	LYS163	electrostatic stabiliser

site_id	MCSA2
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
B	TYR156	proton acceptor, proton donor
B	LYS163	electrostatic stabiliser

site_id	MCSA3
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
C	TYR156	proton acceptor, proton donor
C	LYS163	electrostatic stabiliser

site_id	MCSA4
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
D	TYR156	proton acceptor, proton donor
D	LYS163	electrostatic stabiliser

site_id	MCSA5
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
E	TYR156	proton acceptor, proton donor
E	LYS163	electrostatic stabiliser

site_id	MCSA6
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
F	TYR156	proton acceptor, proton donor
F	LYS163	electrostatic stabiliser

site_id	MCSA7
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
G	TYR156	proton acceptor, proton donor
G	LYS163	electrostatic stabiliser

site_id	MCSA8
Number of Residues	2
Details	M-CSA 606

Chain	Residue	Details
H	TYR156	proton acceptor, proton donor
H	LYS163	electrostatic stabiliser

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)